6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide

C18H12ClFN6OS — CID 66801820

IUPAC6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H12ClFN6OS/c1-21-17(27)12-7-13(24-8-23-12)26-16-15-11(5-6-22-16)25-18(28-15)14-9(19)3-2-4-10(14)20/h2-8H,1H3,(H,21,27)(H,22,23,24,26)
InChIKeyZTHWIGMACDUNKT-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.04
Rot. Bonds4

About 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide

6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide (PubChem CID 66801820) has the molecular formula C18H12ClFN6OS and a molecular weight of 414.85 g/mol. Its IUPAC name is 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide
PubChem CID66801820
Molecular FormulaC18H12ClFN6OS
Molecular Weight414.85 g/mol
Exact Mass414.05
IUPAC Name6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H12ClFN6OS/c1-21-17(27)12-7-13(24-8-23-12)26-16-15-11(5-6-22-16)25-18(28-15)14-9(19)3-2-4-10(14)20/h2-8H,1H3,(H,21,27)(H,22,23,24,26)
InChIKeyZTHWIGMACDUNKT-UHFFFAOYSA-N
XLogP4.04
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide (CID 66801820) is 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1.
What is the InChIKey of 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is ZTHWIGMACDUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6OS/c1-21-17(27)12-7-13(24-8-23-12)26-16-15-11(5-6-22-16)25-18(28-15)14-9(19)3-2-4-10(14)20/h2-8H,1H3,(H,21,27)(H,22,23,24,26).
What are the key properties of 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide?
6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 66801820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).